USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 120 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 CYS SG : rot 169:sc= -2.78! USER MOD Set 1.2: A 13 CYS SG : rot -47:sc= -0.603 USER MOD Set 1.3: A 18 HIS :FLIP no HE2:sc= -2.73 F(o=-8.7!,f=-7.6) USER MOD Set 1.4: A 23 CYS SG : rot -30:sc= -1.53 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.229 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0488 (180deg=-0.371) USER MOD Single : A 22 ASN :FLIP amide:sc= -3.36! C(o=-3.9!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.042 -4.829 -1.775 1.00 0.00 N ATOM 88 CA THR A 9 -11.319 -5.581 -2.794 1.00 0.00 C ATOM 89 C THR A 9 -12.074 -6.847 -3.182 1.00 0.00 C ATOM 90 O THR A 9 -12.879 -7.365 -2.407 1.00 0.00 O ATOM 91 CB THR A 9 -9.908 -5.967 -2.311 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.258 -4.827 -1.736 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.071 -6.506 -3.462 1.00 0.00 C ATOM 0 HA THR A 9 -11.233 -4.931 -3.665 1.00 0.00 H new ATOM 0 HB THR A 9 -10.007 -6.748 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.925 -4.255 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.079 -6.772 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.553 -7.390 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.981 -5.743 -4.235 1.00 0.00 H new ATOM 101 N CYS A 10 -11.810 -7.342 -4.387 1.00 0.00 N ATOM 102 CA CYS A 10 -12.464 -8.548 -4.879 1.00 0.00 C ATOM 103 C CYS A 10 -12.332 -9.688 -3.873 1.00 0.00 C ATOM 104 O CYS A 10 -11.236 -10.194 -3.632 1.00 0.00 O ATOM 105 CB CYS A 10 -11.864 -8.967 -6.222 1.00 0.00 C ATOM 106 SG CYS A 10 -12.504 -10.548 -6.862 1.00 0.00 S ATOM 0 H CYS A 10 -11.147 -6.926 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.523 -8.327 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.060 -8.185 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.782 -9.041 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.130 -10.699 -8.098 1.00 0.00 H new ATOM 111 N PHE A 11 -13.457 -10.086 -3.288 1.00 0.00 N ATOM 112 CA PHE A 11 -13.468 -11.165 -2.307 1.00 0.00 C ATOM 113 C PHE A 11 -13.281 -12.519 -2.986 1.00 0.00 C ATOM 114 O PHE A 11 -13.164 -13.548 -2.321 1.00 0.00 O ATOM 115 CB PHE A 11 -14.780 -11.154 -1.520 1.00 0.00 C ATOM 116 CG PHE A 11 -14.778 -12.081 -0.338 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.817 -11.960 0.653 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.737 -13.074 -0.218 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.813 -12.813 1.740 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.738 -13.929 0.868 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.775 -13.798 1.849 1.00 0.00 C ATOM 0 H PHE A 11 -14.373 -9.678 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.638 -11.005 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.979 -10.139 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.597 -11.430 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.063 -11.191 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.493 -13.181 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.057 -12.709 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.491 -14.699 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.774 -14.464 2.699 1.00 0.00 H new ATOM 131 N ARG A 12 -13.254 -12.509 -4.315 1.00 0.00 N ATOM 132 CA ARG A 12 -13.083 -13.735 -5.084 1.00 0.00 C ATOM 133 C ARG A 12 -11.617 -14.157 -5.117 1.00 0.00 C ATOM 134 O ARG A 12 -11.248 -15.200 -4.576 1.00 0.00 O ATOM 135 CB ARG A 12 -13.602 -13.544 -6.511 1.00 0.00 C ATOM 136 CG ARG A 12 -14.019 -14.840 -7.186 1.00 0.00 C ATOM 137 CD ARG A 12 -14.698 -14.579 -8.522 1.00 0.00 C ATOM 138 NE ARG A 12 -14.981 -15.816 -9.243 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.975 -16.639 -8.930 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.778 -16.357 -7.913 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.169 -17.747 -9.634 1.00 0.00 N ATOM 0 H ARG A 12 -13.348 -11.666 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.659 -14.522 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.454 -12.864 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.827 -13.066 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.143 -15.470 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.697 -15.390 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.628 -14.036 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.061 -13.941 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.382 -16.062 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.633 -15.506 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.541 -16.991 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.554 -17.968 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.933 -18.378 -9.392 1.00 0.00 H new ATOM 155 N CYS A 13 -10.786 -13.340 -5.755 1.00 0.00 N ATOM 156 CA CYS A 13 -9.361 -13.627 -5.860 1.00 0.00 C ATOM 157 C CYS A 13 -8.558 -12.752 -4.902 1.00 0.00 C ATOM 158 O CYS A 13 -7.502 -13.153 -4.415 1.00 0.00 O ATOM 159 CB CYS A 13 -8.879 -13.408 -7.295 1.00 0.00 C ATOM 160 SG CYS A 13 -8.977 -11.677 -7.856 1.00 0.00 S ATOM 0 H CYS A 13 -11.076 -12.473 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.205 -14.671 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.846 -13.747 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.472 -14.030 -7.965 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.140 -11.186 -7.547 1.00 0.00 H new ATOM 165 N GLY A 14 -9.067 -11.552 -4.638 1.00 0.00 N ATOM 166 CA GLY A 14 -8.385 -10.638 -3.740 1.00 0.00 C ATOM 167 C GLY A 14 -7.640 -9.546 -4.481 1.00 0.00 C ATOM 168 O GLY A 14 -6.607 -9.062 -4.016 1.00 0.00 O ATOM 0 H GLY A 14 -9.939 -11.197 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.112 -10.185 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.683 -11.197 -3.121 1.00 0.00 H new ATOM 172 N LYS A 15 -8.163 -9.156 -5.638 1.00 0.00 N ATOM 173 CA LYS A 15 -7.541 -8.113 -6.447 1.00 0.00 C ATOM 174 C LYS A 15 -8.415 -6.864 -6.490 1.00 0.00 C ATOM 175 O LYS A 15 -9.622 -6.929 -6.726 1.00 0.00 O ATOM 176 CB LYS A 15 -7.291 -8.622 -7.868 1.00 0.00 C ATOM 177 CG LYS A 15 -6.113 -9.575 -7.974 1.00 0.00 C ATOM 178 CD LYS A 15 -4.812 -8.828 -8.216 1.00 0.00 C ATOM 179 CE LYS A 15 -4.113 -8.490 -6.908 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.713 -8.033 -7.130 1.00 0.00 N ATOM 0 H LYS A 15 -9.017 -9.546 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.587 -7.852 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.188 -9.125 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.118 -7.770 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.033 -10.160 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.286 -10.280 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.152 -9.435 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.015 -7.911 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.671 -7.711 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.111 -9.367 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.271 -7.812 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.173 -8.786 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.716 -7.182 -7.727 1.00 0.00 H new ATOM 194 N PRO A 16 -7.795 -5.698 -6.257 1.00 0.00 N ATOM 195 CA PRO A 16 -8.498 -4.411 -6.266 1.00 0.00 C ATOM 196 C PRO A 16 -8.946 -4.006 -7.665 1.00 0.00 C ATOM 197 O PRO A 16 -8.730 -4.734 -8.633 1.00 0.00 O ATOM 198 CB PRO A 16 -7.449 -3.431 -5.735 1.00 0.00 C ATOM 199 CG PRO A 16 -6.140 -4.061 -6.064 1.00 0.00 C ATOM 200 CD PRO A 16 -6.359 -5.545 -5.968 1.00 0.00 C ATOM 0 HA PRO A 16 -9.412 -4.441 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.547 -2.453 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.557 -3.280 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.812 -3.779 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.365 -3.735 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.745 -6.089 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.106 -5.925 -4.978 1.00 0.00 H new ATOM 208 N GLY A 17 -9.572 -2.837 -7.766 1.00 0.00 N ATOM 209 CA GLY A 17 -10.041 -2.354 -9.051 1.00 0.00 C ATOM 210 C GLY A 17 -11.383 -2.945 -9.438 1.00 0.00 C ATOM 211 O GLY A 17 -12.189 -2.292 -10.102 1.00 0.00 O ATOM 0 H GLY A 17 -9.763 -2.216 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.121 -1.267 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.306 -2.597 -9.818 1.00 0.00 H new ATOM 215 N HIS A 18 -11.624 -4.184 -9.023 1.00 0.00 N ATOM 216 CA HIS A 18 -12.878 -4.864 -9.331 1.00 0.00 C ATOM 217 C HIS A 18 -13.426 -5.578 -8.099 1.00 0.00 C ATOM 218 O HIS A 18 -12.737 -5.705 -7.086 1.00 0.00 O ATOM 219 CB HIS A 18 -12.673 -5.866 -10.467 1.00 0.00 C ATOM 220 CG HIS A 18 -11.814 -7.033 -10.089 1.00 0.00 C ATOM 221 ND1 HIS A 18 -12.139 -8.240 -9.570 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 -10.443 -7.035 -10.230 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 -10.970 -8.943 -9.410 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 -9.961 -8.194 -9.816 1.00 0.00 N flip ATOM 0 H HIS A 18 -10.968 -4.738 -8.473 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.603 -4.113 -9.646 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.645 -6.233 -10.797 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.221 -5.353 -11.316 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -13.078 -8.567 -9.340 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.854 -6.217 -10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.889 -9.945 -9.016 1.00 0.00 H new ATOM 232 N TYR A 19 -14.667 -6.040 -8.193 1.00 0.00 N ATOM 233 CA TYR A 19 -15.309 -6.738 -7.085 1.00 0.00 C ATOM 234 C TYR A 19 -15.507 -8.214 -7.414 1.00 0.00 C ATOM 235 O TYR A 19 -15.173 -8.669 -8.508 1.00 0.00 O ATOM 236 CB TYR A 19 -16.656 -6.091 -6.759 1.00 0.00 C ATOM 237 CG TYR A 19 -17.366 -5.527 -7.968 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.833 -4.454 -8.674 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.569 -6.065 -8.406 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.478 -3.935 -9.779 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.221 -5.553 -9.511 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.671 -4.488 -10.194 1.00 0.00 C ATOM 243 OH TYR A 19 -19.318 -3.974 -11.295 1.00 0.00 O ATOM 0 H TYR A 19 -15.249 -5.944 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.658 -6.662 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.299 -6.831 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.500 -5.292 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.898 -4.019 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.003 -6.898 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.051 -3.101 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.156 -5.984 -9.838 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.144 -4.478 -11.454 1.00 0.00 H new ATOM 253 N ILE A 20 -16.054 -8.958 -6.458 1.00 0.00 N ATOM 254 CA ILE A 20 -16.299 -10.382 -6.645 1.00 0.00 C ATOM 255 C ILE A 20 -17.324 -10.624 -7.748 1.00 0.00 C ATOM 256 O ILE A 20 -17.407 -11.718 -8.305 1.00 0.00 O ATOM 257 CB ILE A 20 -16.795 -11.044 -5.345 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.079 -12.529 -5.579 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.040 -10.336 -4.832 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.857 -13.387 -4.353 1.00 0.00 C ATOM 0 H ILE A 20 -16.336 -8.598 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.348 -10.830 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.014 -10.957 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.110 -12.645 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.441 -12.890 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.378 -10.815 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.807 -9.290 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.828 -10.395 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.077 -14.427 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.819 -13.301 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.514 -13.052 -3.551 1.00 0.00 H new ATOM 272 N LYS A 21 -18.102 -9.593 -8.060 1.00 0.00 N ATOM 273 CA LYS A 21 -19.121 -9.690 -9.099 1.00 0.00 C ATOM 274 C LYS A 21 -18.558 -9.269 -10.453 1.00 0.00 C ATOM 275 O LYS A 21 -19.063 -9.675 -11.499 1.00 0.00 O ATOM 276 CB LYS A 21 -20.327 -8.819 -8.743 1.00 0.00 C ATOM 277 CG LYS A 21 -20.564 -8.690 -7.248 1.00 0.00 C ATOM 278 CD LYS A 21 -20.987 -10.014 -6.635 1.00 0.00 C ATOM 279 CE LYS A 21 -22.471 -10.276 -6.843 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.316 -9.327 -6.067 1.00 0.00 N ATOM 0 H LYS A 21 -18.046 -8.680 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.440 -10.730 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.184 -7.825 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.218 -9.239 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.653 -8.338 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.333 -7.940 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.408 -10.823 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.763 -10.010 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.710 -10.191 -7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.705 -11.298 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.260 -9.739 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.875 -9.146 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.404 -8.432 -6.590 1.00 0.00 H new ATOM 294 N ASN A 22 -17.510 -8.452 -10.425 1.00 0.00 N ATOM 295 CA ASN A 22 -16.878 -7.977 -11.651 1.00 0.00 C ATOM 296 C ASN A 22 -15.521 -8.643 -11.857 1.00 0.00 C ATOM 297 O ASN A 22 -14.742 -8.234 -12.719 1.00 0.00 O ATOM 298 CB ASN A 22 -16.712 -6.457 -11.607 1.00 0.00 C ATOM 299 CG ASN A 22 -15.758 -5.948 -12.671 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.875 -5.034 -12.286 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -15.815 -6.373 -13.825 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.081 -8.105 -9.567 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.523 -8.241 -12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.685 -5.984 -11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.346 -6.163 -10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.510 -7.076 -14.076 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.167 -6.022 -14.530 1.00 0.00 H new ATOM 308 N CYS A 23 -15.246 -9.671 -11.062 1.00 0.00 N ATOM 309 CA CYS A 23 -13.983 -10.394 -11.156 1.00 0.00 C ATOM 310 C CYS A 23 -13.889 -11.153 -12.477 1.00 0.00 C ATOM 311 O CYS A 23 -14.818 -11.847 -12.891 1.00 0.00 O ATOM 312 CB CYS A 23 -13.841 -11.368 -9.984 1.00 0.00 C ATOM 313 SG CYS A 23 -12.254 -12.262 -9.949 1.00 0.00 S ATOM 0 H CYS A 23 -15.881 -10.023 -10.345 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.172 -9.667 -11.116 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.956 -10.816 -9.051 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.654 -12.093 -10.028 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.816 -12.416 -11.163 1.00 0.00 H new ATOM 318 N PRO A 24 -12.739 -11.020 -13.154 1.00 0.00 N ATOM 319 CA PRO A 24 -12.495 -11.686 -14.437 1.00 0.00 C ATOM 320 C PRO A 24 -12.345 -13.196 -14.287 1.00 0.00 C ATOM 321 O PRO A 24 -12.979 -13.968 -15.007 1.00 0.00 O ATOM 322 CB PRO A 24 -11.181 -11.063 -14.915 1.00 0.00 C ATOM 323 CG PRO A 24 -10.496 -10.618 -13.669 1.00 0.00 C ATOM 324 CD PRO A 24 -11.589 -10.209 -12.720 1.00 0.00 C ATOM 0 HA PRO A 24 -13.325 -11.551 -15.131 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.576 -11.786 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.362 -10.225 -15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.893 -11.422 -13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.822 -9.785 -13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.320 -10.415 -11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.801 -9.142 -12.788 1.00 0.00 H new